SCHEMBL30802466

SCHEMBL30802466

O=C(O)N1CCC(N(CCO)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CCR5 P51681 15/20 0.48
CHRM2 P08172 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
CYP2C19 P33261 1/20 0.47
SIGMAR1 Q99720 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL32691106 0.90 CCR6 (0.46) SMN1; SMN2NPC1RAB9ACCR5CHRM2
SCHEMBL784814 0.88 CCR5 (0.60) SMN1; SMN2NPC1RAB9ACCR5
SCHEMBL7813133 0.87 ENPP2 (0.51) CCR5CHRM2CHRM5CHRM1CHRM3
SCHEMBL30802348 0.87 GPR119 (0.49) SMN1; SMN2NPC1RAB9ACCR5
SCHEMBL30802476 0.85 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ACCR5CYP2C19
SCHEMBL13641301 0.84 SIGMAR1 (0.46) CCR5CHRM2CHRM5CHRM1CHRM3
SCHEMBL10325504 0.84 SIGMAR1 (0.46) CCR5CHRM2CHRM5CHRM1CHRM3
SCHEMBL30802298 0.84 SLC6A2 (0.45) CCR5CHRM3
SCHEMBL31076054 0.83 HSD11B1 (0.53) SMN1; SMN2NPC1RAB9ACCR5
SCHEMBL2795154 0.82 HTR2A (0.51) SMN1; SMN2NPC1RAB9ACCR5CHRM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024054512-A1 AKT1 MODULATORS ALTEROME THERAPEUTICS, INC. (US) 2024-03-14 WO disclosed